2-methyl-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]benzamide

C28H31N3O2 — CID 16989479

IUPAC2-methyl-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCc1ccccc1C(=O)NCCCCCc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C28H31N3O2/c1-22-12-7-8-15-24(22)28(32)29-19-11-3-6-18-27-30-25-16-9-10-17-26(25)31(27)20-21-33-23-13-4-2-5-14-23/h2,4-5,7-10,12-17H,3,6,11,18-21H2,1H3,(H,29,32)
InChIKeyFYTALPRTAWPNNS-UHFFFAOYSA-N
MW441.58 g/mol
LogP5.57
Rot. Bonds11

About 2-methyl-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]benzamide

2-methyl-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16989479) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 2-methyl-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]benzamide
PubChem CID16989479
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name2-methyl-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCc1ccccc1C(=O)NCCCCCc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C28H31N3O2/c1-22-12-7-8-15-24(22)28(32)29-19-11-3-6-18-27-30-25-16-9-10-17-26(25)31(27)20-21-33-23-13-4-2-5-14-23/h2,4-5,7-10,12-17H,3,6,11,18-21H2,1H3,(H,29,32)
InChIKeyFYTALPRTAWPNNS-UHFFFAOYSA-N
XLogP5.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982404
2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16989477
N-[3-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982406
N-[3-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982436
2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976391
4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991935
2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989642
N-[5-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-fluorobenzamide
CID 16989987
2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16994015
2,4-dimethyl-N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989680
N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16987885
N-[2-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975960

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 2-methyl-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]benzamide (CID 16989479) is 2-methyl-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 2-methyl-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 2-methyl-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]benzamide is Cc1ccccc1C(=O)NCCCCCc1nc2ccccc2n1CCOc1ccccc1.
What is the InChIKey of 2-methyl-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is FYTALPRTAWPNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-22-12-7-8-15-24(22)28(32)29-19-11-3-6-18-27-30-25-16-9-10-17-26(25)31(27)20-21-33-23-13-4-2-5-14-23/h2,4-5,7-10,12-17H,3,6,11,18-21H2,1H3,(H,29,32).
What are the key properties of 2-methyl-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]benzamide?
2-methyl-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 441.58 g/mol, XLogP of 5.57, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16989479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).